Volumes and issues

Gerry Maggiora Special Issue

Special Issue: Quantum Mechanics and Drug Discover

Special Issue: SAMPL7

Special Issue: Artificial Intelligence in Chemistry and Drug Design

Special Issue: SAMPL6 Part 2 Issue #2: log P Challenge: Assessing the accuracy of octanol-water partition coefficients

Special Issue: SAMPL6 Part 2 Issue #1: log P Challenge: Assessing the accuracy of octanol-water partition coefficients

Special Issue: Drug Design Data Resource: Grand Challenge 4 – Part II

Special Issue: Drug Design Data Resource: Grand Challenge 4 - Part 1

Special Issue: The 3rd Grand Challenge of the Drug Discovery Data Resource  (D3RGC3)

Special Issue: SAMPL6 (Statistical Assessment of the Modeling of Proteins and Ligands)

Special Issue: Drug Discovery Data Resource Grand Challenge 2 (D3RGC2)

Special Issue: Computer-aided drug design strategies in pharmaceutical research

Special Issue: Host-guest binding affinity prediction: The SAMPL5 challenge - Part 2 of 2 - Statistical Assessment of the Modeling of Proteins and Ligands

Special Issue: Distribution coefficient prediction: The SAMPL5 challenge - Part 1 of 2

Special Issue: Drug Design Data Resource Grand Challenge 2015

Including an Article of the Special Series: Statistics in Molecular Modeling

Including an Article of the Special Series: Statistics in Molecular Modeling

Including an Article of the Special Series: Statistics in Molecular Modeling

Including an Article of the Special Series: Statistics in Molecular Modeling

Special Issue on Data Part 2: Experimental Data

Including an Article of the Special Series: Statistics in Molecular Modeling

Including an Article of the Special Series: Statistics in Molecular Modeling

Including an Article of the Special Series: Statistics in Molecular Modeling

Including Article of the Special Series: Statistics in Molecular Modeling

Including Article of the Special Series: Statistics in Molecular Modeling

Special Issue: Data Informatics

Including Articles of the Special Series: Statistics in Molecular Modeling

Special Issue: SAMPL4: Blinded prediction of host-guest binding, hydration free energies, and HIV-1 integrase inhibition: Part 2 of 2: BINDING

Special Issue: SAMPL4: Blinded prediction of host-guest binding, hydration free energies, and HIV-1 integrase inhibition: Part 1 of 2: HYDRATION

Special Issue: A snapshot in time: Docking Challenge

Special Issue: SAMPL3: Blinded prediction of host-guest binding, hydration energies, and trypsin inhibition

Special Issue: The next 25 years: Commemorating the 25th anniversary of the Journal of Computer-Aided Molecular Design

Special Issue: Fragment-Based Ligand Design 2011

Perspectives in Drug Discovery and Design: Tautomers and Tautomerism/Editor: Yvonne C. Martin

Special Issue: SAMPL2: Tautomer Ratio and Solvation Energy Challenge/ Guest Edited by A. Geoffrey Skillman

Special Issue: Fragment-Based Drug Design / Guest Edited by D. Joseph-McCarthy

Special Issue on Rational Drug Design

Special Issue: Dr. Philip S. Magee Memorial

Advances in Pharmacophores and 3-D Screening